(2S)-2-amino-6-(1-aminoethylideneamino)hexanoic acid

C8H17N3O2 — CID 2733506

IUPAC(2S)-2-amino-6-(1-aminoethylideneamino)hexanoic acid
SMILESC/C(N)=N\CCCC[C@H](N)C(=O)O
InChIInChI=1S/C8H17N3O2/c1-6(9)11-5-3-2-4-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1
InChIKeyONYFNWIHJBLQKE-ZETCQYMHSA-N
MW187.24 g/mol
LogP-0.05
Rot. Bonds6

About (2S)-2-amino-6-(1-aminoethylideneamino)hexanoic acid

(2S)-2-amino-6-(1-aminoethylideneamino)hexanoic acid (PubChem CID 2733506) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is (2S)-2-amino-6-(1-aminoethylideneamino)hexanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-6-(1-aminoethylideneamino)hexanoic acid
PubChem CID2733506
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name(2S)-2-amino-6-(1-aminoethylideneamino)hexanoic acid
SMILESC/C(N)=N\CCCC[C@H](N)C(=O)O
InChIInChI=1S/C8H17N3O2/c1-6(9)11-5-3-2-4-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1
InChIKeyONYFNWIHJBLQKE-ZETCQYMHSA-N
XLogP-0.05
TPSA101.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-6-(1-aminoethylideneamino)hexanoic acid?
The IUPAC name of (2S)-2-amino-6-(1-aminoethylideneamino)hexanoic acid (CID 2733506) is (2S)-2-amino-6-(1-aminoethylideneamino)hexanoic acid.
What is the SMILES notation for (2S)-2-amino-6-(1-aminoethylideneamino)hexanoic acid?
The canonical SMILES for (2S)-2-amino-6-(1-aminoethylideneamino)hexanoic acid is C/C(N)=N\CCCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-6-(1-aminoethylideneamino)hexanoic acid?
The InChIKey is ONYFNWIHJBLQKE-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-6(9)11-5-3-2-4-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-6-(1-aminoethylideneamino)hexanoic acid?
(2S)-2-amino-6-(1-aminoethylideneamino)hexanoic acid has a molecular weight of 187.24 g/mol, XLogP of -0.05, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-6-(1-aminoethylideneamino)hexanoic acid is sourced from PubChem (CID 2733506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).